Vernamycin BA
TL;DR: Vernamycin BA (CAS 3131-03-1) is a chemical compound with molecular formula C45H54N8O10 and molecular weight 866.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Also Known As: Mikamycin B, Pristinamycin IA, Ostreogrycin B, Streptogramin B, Vernamycin BA
| Molecular Formula | C45H54N8O10 |
|---|---|
| Molecular Weight | 866.40 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 866.3963 |
| Heavy Atoms | 63 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 3131-03-1 |
|---|---|
| SMILES | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C |
| InChIKey | YGXCETJZBDTKRY-UHFFFAOYSA-N |
Product Overview
Vernamycin BA (CAS 3131-03-1), with molecular formula C45H54N8O10 and molecular weight 866.40 g/mol. IUPAC: N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide.
Chemical Property Profile of Vernamycin BA
Property Insights of Vernamycin BA
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vernamycin BA. The TPSA of 228.0 Ų indicates high polarity, suggesting Vernamycin BA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vernamycin BA has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vernamycin BA?
The CAS number of Vernamycin BA is 3131-03-1.
What is the molecular formula of Vernamycin BA?
The molecular formula of Vernamycin BA is C45H54N8O10.
What is the molecular weight of Vernamycin BA?
The molecular weight of Vernamycin BA is 866.40 g/mol.
Where can I buy Vernamycin BA?
You can request a quote for Vernamycin BA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernamycin BA?
Yes, KEHONG BIO provides custom synthesis services for Vernamycin BA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.